3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide

C29H25F2N5O — CID 10458546

IUPAC3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C29H25F2N5O/c1-2-14-33-25(37)13-17-36-29-24(18-34-36)26(19-3-7-22(30)8-4-19)27(20-11-15-32-16-12-20)28(35-29)21-5-9-23(31)10-6-21/h3-12,15-16,18H,2,13-14,17H2,1H3,(H,33,37)
InChIKeyHMTCKIBQBPYYRG-UHFFFAOYSA-N
MW497.55 g/mol
LogP6.02
Rot. Bonds8

About 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide

3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide (PubChem CID 10458546) has the molecular formula C29H25F2N5O and a molecular weight of 497.55 g/mol. Its IUPAC name is 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide
PubChem CID10458546
Molecular FormulaC29H25F2N5O
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C29H25F2N5O/c1-2-14-33-25(37)13-17-36-29-24(18-34-36)26(19-3-7-22(30)8-4-19)27(20-11-15-32-16-12-20)28(35-29)21-5-9-23(31)10-6-21/h3-12,15-16,18H,2,13-14,17H2,1H3,(H,33,37)
InChIKeyHMTCKIBQBPYYRG-UHFFFAOYSA-N
XLogP6.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
CID 91105932
ethyl 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propanoate
CID 67014442
N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 23000446
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-propylpropanamide
CID 2024185
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-(4-fluorophenoxy)-N-[2-[4-(propylamino)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 16903224
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674047
butyl N-[1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-yl]carbamate
CID 67014981
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide (CID 10458546) is 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide is CCCNC(=O)CCn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21.
What is the InChIKey of 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide?
The InChIKey is HMTCKIBQBPYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N5O/c1-2-14-33-25(37)13-17-36-29-24(18-34-36)26(19-3-7-22(30)8-4-19)27(20-11-15-32-16-12-20)28(35-29)21-5-9-23(31)10-6-21/h3-12,15-16,18H,2,13-14,17H2,1H3,(H,33,37).
What are the key properties of 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide?
3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide has a molecular weight of 497.55 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 10458546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).